>compound L-Citrulline_L-Citrulline
#instrument UPLC Q-Tof Premier, Waters
>formula C6H13N3O3
#smiles NC(=O)NCCC[C@H](N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100901.txt;LC-ESI-QTOF_train_data/PR100448.txt
>charge -1
>ionization [M-H]-
>parentmass 174.08789

>collision 5-60
131.082 321.2
174.0879 16.07

>collision 5-60
70.0655 1116.0
113.0705 696.1
114.0554 112.8
115.0866 154.3
116.0698 91.08
159.0751 840.8
176.1035 84.13

